CID 5365017

(6e)-6-octadecenal

Structural Information

Molecular Formula
C18H34O
SMILES
CCCCCCCCCCC/C=C/CCCCC=O
InChI
InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h12-13,18H,2-11,14-17H2,1H3/b13-12+
InChIKey
CMVCTUZMEJVSMW-OUKQBFOZSA-N
Compound name
(E)-octadec-6-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

266.26096 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.26824 173.4
[M+Na]+ 289.25018 176.4
[M-H]- 265.25368 171.6
[M+NH4]+ 284.29478 190.3
[M+K]+ 305.22412 172.3
[M+H-H2O]+ 249.25822 166.9
[M+HCOO]- 311.25916 193.9
[M+CH3COO]- 325.27481 203.1
[M+Na-2H]- 287.23563 174.2
[M]+ 266.26041 179.3
[M]- 266.26151 179.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.